Unconventional U-shaped conformation of a bolaamphiphile embedded in a synthetic host

Abstract

The X-ray crystal structure of 1,12-dodecane diammonium (C(12)DA(2+)) encapsulated in cucurbit[8]uril reveals an unconventional U-shaped conformation of C(12)DA(2+), which is attributed to the favorable host-guest interactions to overcome the charge-charge repulsion of the two ammonium groups in close proximity and high internal strain.